2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 66117014

IUPAC2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1cncc1CCC1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-18-11-16-10-14(18)9-8-13-7-6-12-4-2-3-5-15(12)17-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyNYYJFOUPFQAVJB-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline

2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 66117014) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID66117014
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCn1cncc1CCC1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-18-11-16-10-14(18)9-8-13-7-6-12-4-2-3-5-15(12)17-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyNYYJFOUPFQAVJB-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 66117014) is 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline is Cn1cncc1CCC1CCc2ccccc2N1.
What is the InChIKey of 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NYYJFOUPFQAVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-11-16-10-14(18)9-8-13-7-6-12-4-2-3-5-15(12)17-13/h2-5,10-11,13,17H,6-9H2,1H3.
What are the key properties of 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 66117014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).